ChemAxon US User Meeting, San Francisco, April 10-11, 2017

Apr 10, 2017 - Report
  Introduction US ChemAxon users gathered at the Sheraton Fisherman’s Wharf, San Francisco for the annual meeting. A hands-on workshop and biomolecule forum took place in the morni…

An Online Integrated Testing Strategy Development for Skin Sensation Assessment

May 10, 2017 - Presentation
Allergic contact dermatitis (aka., skin sensitization) accounts for 20% of all contact dermatitis cases and hence has an estimated annual cost up to $200 million. It is also a public heal…

European Lead Factory Web Portal

May 11, 2017 - Presentation
The European Lead Factory is an EU-led initiative, part of the IMI program, involving pharmaceutical companies, academic organizations, contract research organizations and public bodies t…

Marvin Live at Vertex Pharmaceuticals Incorporated

Sep 14, 2016 - Presentation
We will describe briefly how Marvin Live is used at Vertex Pharmaceuticals Incorporated. We will share our involvement in the early development of Marvin Live.

Chemicalize Webinar - Instant Legal Support for Your Research

Feb 22, 2017 - Webinar
Do you have any legal concerns related to the materials that you want to order or synthesize? If you want to be 100% assured – Compliance Checker is your best friend! Check your com…


Sep 15, 2016 - Presentation
Chemicalize was created as a free, online demonstration and advertising application of ChemAxon’s naming and calculation technologies eight years ago. Currently this is one of the most …

Small Molecules in Big Data: Proceed with Caution!

Sep 14, 2016 - Presentation
The Schürer research group at The University of Miami is one of three sites for the Big Data to Knowledge (BD2K) Data Coordination Integration Center (DCIC) of the Library of Integrated …

Chemicalize Webinar - Calculations Property Predictions for All Chemists

Feb 14, 2017 - Webinar
A detailed introduction of the Calculation module and ChemAxon’s chemical predictions behind it. The benefits of property predictions over simple property databases. An overview of the …

Chemicalize Business - Pricing and Security Aspects

Feb 23, 2017 - Webinar
A detailed description of Chemicalize’s business model including registration, free usage, the credit system and special offers for universities. Clear clarifications for the most frequ…

Chemicalize Webinar - Why Google Isn't Enough for Chemists

Feb 16, 2017 - Webinar
An introduction to Document and Structure Search modules. The benefits of chemically intelligent searches over Google search. An overview of the current available databases and our custom…

Calculations & Predictors in ChemAxon's Discovery Tools

May 25, 2016 - Presentation
ChemAxon’s Discovery Toolkit is a software suite, which implements expert knowledge, and provides robust, class-leading performance to computational and medicinal chemists, aiding the i…
Product group: Discovery toolkit

Machine Learning Applications with JChem

Sep 25, 2013 - Presentation
We present a method for automating the identification and optimization of predictive models in the drug discovery arena. This technique selects appropriate fingerprints and learning metho…

Development of web-based Chemistry Design Tools at GlaxoSmithKline

May 20, 2015 - Presentation
At GSK we have a long history of putting design & analysis tools into the hands of medicinal chemists. However, for a variety of reasons, we have found ourselves with a proliferation…
tim parrott

A Chemical Library Design Tool

Sep 25, 2013 - Presentation
As the usage of parallel synthesis in early stage drug discovery has evolved, medicinal chemists have demanded ever more sophisticated tools for the design and virtual screening of potent…

Perspiration, Inspiration, and Happenstance in Scientific Discoveries

May 18, 2011 - Presentation
This presentation will include the mostly unwritten stories of how and why QSAR, SMILES, CLOGP, DISCO pharmacophore detection, 3D searching, and CONCORD were discovered. Hint: these inve…
Related product: Naming

Tautomerism in chemical information management systems

May 19, 2010 - Presentation
Tautomerism has an impact on many of the processes in chemical information management systems including novelty checking during registration into chemical structure databases; storage of …
Related product: Standardizer

Chemonaut: on-line compound sourcing platform 

May 20, 2010 - Presentation
Pyxis Discovery provides Cheminformatics-based lead discovery services to companies that are active in small molecule drug discovery. Our approach for designing and selecting screening co…

Tautomers: A Rant

Sep 15, 2009 - Presentation
Approximately 25% of all drug-like molecules exist as more than one tautomeric form. This affects all aspects of computer-aided molecular design. One challenge is that frequently biomacro…